VIrtual Screening OLD

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2012 Virtual SCreening



Target- Carbonic Anhydrase (Salmonella) ------------------------------------------------------------------
Krishna
cb_306_3d.sdf, CB-kin_UT.sdf, MW-set_3D.sdf, MicroFormats3D.sdf,
HF9PlatesPlates5_9.sdf
MayBridge50k_3D.sdf
NIH_ClinCol3Ded.sdf

Johnny
cb_306_3d.sdf, ION_Channel3D.sdf, ChemBridge-diversity3D.sdf
HF9PlatesPlates5_9.sdf
zincSigmaLibrary3D.sdf

Shreya
cb_306_3d.sdf, KINASet3d.sdf, CNS-Set3d.sdf
HF9PlatesPlates5_9.sdf
LOPAC_3d.sdf


Target-Histidine Phosphatase (Francisella Tularensis) ---------------------------------------------------
Christina
cb_306_3d.sdf, CB-kin_UT.sdf, MW-set_3D.sdf, MicroFormats3D.sdf,
HF9PlatesPlates5_9.sdf
MayBridge50k_3D.sdf

Joey
cb_306_3d.sdf, ION_Channel3D.sdf, ChemBridge-diversity3D.sdf
HF9PlatesPlates5_9.sdf
zincSigmaLibrary3D.sdf
NIH_ClinCol3Ded.sdf

T.J.
cb_306_3d.sdf, KINASet3d.sdf, CNS-Set3d.sdf
HF9PlatesPlates5_9.sdf
LOPAC_3d.sdf



Target-MPTPB(Mycobacterium Tuberculosis) H37Rv-----------------------------------------------------
Hongbing
cb_306_3d.sdf, CB-kin_UT.sdf, MW-set_3D.sdf,
HF9PlatesPlates5_9.sdf

Joshua
cb_306_3d.sdf, ION_Channel3D.sdf, KINASet3d.sdf,
HF9PlatesPlates5_9.sdf
zincSigmaLibrary3D.sdf
NIH_ClinCol3Ded.sdf

Ronnie
cb_306_3d.sdf, ChemBridge-diversity3D.sdf
HF9PlatesPlates5_9.sdf
LOPAC_3d.sdf

Giancarlo
cb_306_3d.sdf,
MayBridge50k_3D.sdf
HF9PlatesPlates5_9.sdf


Target - Protein-Tyrosine Phosphatase Yersinia pestis YopH (Bubonic Plague)--------------------
Marshall
cb_306_3d.sdf, CB-kin_UT.sdf, MW-set_3D.sdf, MicroFormats3D.sdf,
HF9PlatesPlates5_9.sdf
MayBridge50k_3D.sdf

J.C.
cb_306_3d.sdf, ION_Channel3D.sdf, ChemBridge-diversity3D.sdf
HF9PlatesPlates5_9.sdf
zincSigmaLibrary3D.sdf
NIH_ClinCol3Ded.sdf

Chijioke
cb_306_3d.sdf, KINASet3d.sdf, CNS-Set3d.sdf
HF9PlatesPlates5_9.sdf
LOPAC_3d.sdf

Target-Mycobacterium Tuberculosis PSTP ------------------------------------------------------------------
Sadhana
cb_306_3d.sdf, CB-kin_UT.sdf, MW-set_3D.sdf, MicroFormats3D.sdf, KINASet3d.sdf,
HF9PlatesPlates5_9.sdf
MayBridge50k_3D.sdf
LOPAC_3d.sdf

Michael
cb_306_3d.sdf, ION_Channel3D.sdf, ChemBridge-diversity3D.sdf, CNS-Set3d.sdf
HF9PlatesPlates5_9.sdf
zincSigmaLibrary3D.sdf
NIH_ClinCol3Ded.sdf


Target - Serine-Threonine Phosophatase 2C From Toxoplasma Gondii------------------------------


NOTE:
see your Google Docs folder for the prepared protein file from Shutian. She removed the Selenomethionines and replaced them with Methionines

Larry
cb_306_3d.sdf, CB-kin_UT.sdf, MW-set_3D.sdf,
HF9PlatesPlates5_9.sdf

Justin
cb_306_3d.sdf, ION_Channel3D.sdf, KINASet3d.sdf,
HF9PlatesPlates5_9.sdf
zincSigmaLibrary3D.sdf
NIH_ClinCol3Ded.sdf

Jericho
cb_306_3d.sdf, CNS-Set3d.sdf
HF9PlatesPlates5_9.sdf
LOPAC_3d.sdf

Mohammed
cb_306_3d.sdf,
MayBridge50k_3D.sdf
HF9PlatesPlates5_9.sdf

Shutian
cb_306_3d.sdf, ChemBridge-diversity3D.sdf
HF9PlatesPlates5_9.sdf


Target-Apyrase Phosphotase (Shigella flexneri) ------------------------------------------------------------
Indra
cb_306_3d.sdf, CB-kin_UT.sdf, MW-set_3D.sdf, ChemBridge-diversity3D.sdf
HF9PlatesPlates5_9.sdf
NIH_ClinCol3Ded.sdf
LOPAC_3d.sdf



Target - Carbonic Anhydrase IX (Homo sapiens) -----------------------------------------------------------
Vanna
cb_306_3d.sdf, CB-kin_UT.sdf, ChemBridge-diversity3D.sdf
HF9PlatesPlates5_9.sdf
NIH_ClinCol3Ded.sdf

Keyur
cb_306_3d.sdf, CB-kin_UT.sdf, MW-set_3D.sdf
HF9PlatesPlates5_9.sdf
LOPAC_3d.sdf